2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide

C23H24ClN5O3 — CID 90684021

IUPAC2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide
SMILESCC(C)n1cc(C(=O)C2CNC(=O)C(NC(=O)Cc3ccc(Cl)cc3)C2)c2cncnc21
InChIInChI=1S/C23H24ClN5O3/c1-13(2)29-11-18(17-10-25-12-27-22(17)29)21(31)15-8-19(23(32)26-9-15)28-20(30)7-14-3-5-16(24)6-4-14/h3-6,10-13,15,19H,7-9H2,1-2H3,(H,26,32)(H,28,30)
InChIKeyBHWJLBSKQDWXJK-UHFFFAOYSA-N
MW453.93 g/mol
LogP2.71
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide

2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide (PubChem CID 90684021) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide
PubChem CID90684021
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC Name2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide
SMILESCC(C)n1cc(C(=O)C2CNC(=O)C(NC(=O)Cc3ccc(Cl)cc3)C2)c2cncnc21
InChIInChI=1S/C23H24ClN5O3/c1-13(2)29-11-18(17-10-25-12-27-22(17)29)21(31)15-8-19(23(32)26-9-15)28-20(30)7-14-3-5-16(24)6-4-14/h3-6,10-13,15,19H,7-9H2,1-2H3,(H,26,32)(H,28,30)
InChIKeyBHWJLBSKQDWXJK-UHFFFAOYSA-N
XLogP2.71
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide (CID 90684021) is 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide is CC(C)n1cc(C(=O)C2CNC(=O)C(NC(=O)Cc3ccc(Cl)cc3)C2)c2cncnc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is BHWJLBSKQDWXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-13(2)29-11-18(17-10-25-12-27-22(17)29)21(31)15-8-19(23(32)26-9-15)28-20(30)7-14-3-5-16(24)6-4-14/h3-6,10-13,15,19H,7-9H2,1-2H3,(H,26,32)(H,28,30).
What are the key properties of 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 453.93 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-oxo-5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 90684021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).